SCHEMBL12188340

SCHEMBL12188340

CC(=O)[C@H](CN1CCNCC1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 9/20 0.52
▸ SLC6A4 P31645 9/20 0.52
▸ CYP2D6 P10635 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ SLC6A3 Q01959 7/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ SLC6A9 P48067 1/20 0.40
▸ MC4R P32245 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12188341 1.00 SLC6A2 (0.52) SLC6A2SLC6A4CYP2D6CYP19A1OPRM1
SCHEMBL12188434 0.87 NTSR1 (0.56) SLC6A2NTSR1ALDH1A1LMNABRD4
SCHEMBL12188535 0.87 NTSR1 (0.56) SLC6A2NTSR1ALDH1A1LMNABRD4
SCHEMBL684723 0.87 NTSR1 (0.59) CYP2D6NTSR1ALDH1A1LMNABRD4
SCHEMBL684408 0.87 NTSR1 (0.56) SLC6A2NTSR1ALDH1A1LMNABRD4
SCHEMBL680962 0.86 SLC6A2 (0.50) SLC6A2SLC6A4CYP2D6CYP19A1OPRM1
SCHEMBL679657 0.86 SLC6A2 (0.50) SLC6A2SLC6A4CYP2D6CYP19A1OPRM1
SCHEMBL2738486 0.86 SLC6A2 (0.52) SLC6A2SLC6A4CYP2D6CYP19A1OPRM1
SCHEMBL2738473 0.86 SLC6A2 (0.52) SLC6A2SLC6A4CYP2D6CYP19A1OPRM1
SCHEMBL12188581 0.85 SMN1; SMN2 (0.53) SLC6A2SLC6A4OPRM1OPRD1NTSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 — — US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 — — US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 — — US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 — — US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 — — US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 SLC6A2 3273/4885SLC6A4 2789/4885CYP2D6 761/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885CYP2D6 860/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885CYP2D6 860/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 SLC6A2 3153/4885SLC6A4 2692/4885CYP2D6 860/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback